ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006972
RECORD_TITLE: TRANS-2-HEXENYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-2-HEXENYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCC=CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6+
CH$LINK: INCHIKEY DSFNTAVCWZDPEB-VOTSOKGWSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-117dcd37f554d0254aa9
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  18 1.58 16
  26 1.2 12
  27 23.11 231
  28 2.21 22
  29 11 110
  39 18.83 188
  40 2.4 24
  41 50.68 507
  42 6.1 61
  43 99.99 999
  44 2.88 29
  51 1.1 11
  53 5.49 55
  54 10.63 106
  55 50.06 501
  56 3.95 40
  57 8.79 88
  67 21.66 217
  68 1.36 14
  70 1.58 16
  71 71.49 715
  72 2.92 29
  81 2.69 27
  82 15.21 152
  83 24.92 249
  84 1.5 15
  89 1.96 20
  99 1.65 17
  100 1.15 12
  127 1.63 16
  141 1.01 10
  170 3.22 32
//